1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-3H-isoindol-5-amine

Systemtic Name: 1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-3H-isoindol-5-amine Openeye Name: 1-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(3-nitrophenyl)-3H-isoindol-5-amine CAS Name: 1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-3H-isoindol-5-amine IUPAC Name: 1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-3H-isoindol-5-amine Traditional Name: [1-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3H-isoindol-5-yl]-(3-nitrophenyl)amine Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=N1)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(C=CC(=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=N1)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O4/c27-26(28)19-3-1-2-17(12-19)25-18-6-7-20-16(11-18)13-24-21(20)8-4-15-5-9-22-23(10-15)30-14-29-22/h1-12,25H,13-14H2/b8-4+